A DFT Study on Hetero-Diels–Alder Reactions Catalyzed by Cobalt Complexes: Lewis Acidity Enhancement as a Consequence of Spin Transition Caused by Lewis Base Coordination

2005 ◽  
Vol 117 (17) ◽  
pp. 2580-2583 ◽  
Author(s):  
Izumi Iwakura ◽  
Taketo Ikeno ◽  
Tohru Yamada
Keyword(s):  
Spin Transition ◽  
Cobalt Complexes ◽  
Diels Alder ◽  
Lewis Base ◽  
Dft Study ◽  
Lewis Acidity

Evaluation of the Lewis acidity of metal complexes using ESI mass spectrometry

2020 ◽  
Vol 26 (5) ◽  
pp. 332-340
Author(s):  
Rong Zhang ◽  
Ping-Ping Li ◽  
Ge-Ge Gu ◽  
Wei-Min Ren
Keyword(s):  
Mass Spectrometry ◽  
Metal Complexes ◽  
Density Functional ◽  
Lewis Base ◽  
Lewis Acidity ◽  
Ionization Mass ◽  
Base Pairs ◽  
Esi Ms ◽  
Tetradentate Schiff Base ◽  
Schiff Base Metal Complexes

Metal complexes have extensive applications in catalysis, however, the efficient evaluation of Lewis acidity of metal complexes is still a challenge. Herein, we report a method by using electrospray ionization mass spectrometry (ESI-MS) to evaluate the Lewis acidity of metal complexes in the presence of a reference Lewis base, in which the value of the Lewis acidity can be quantized by the bond dissociation energy (BDE) of the resultant Lewis acid-base pairs. Using this method, the Lewis acidity of tetradentate Schiff-base metal complexes (designated as salenMX), a class of common metal complexes in the homogeneous catalysis, was studied in detail. For the salenM(III)X complexes (M = Al, Cr, Fe, Co), the Lewis acidity tendency is Al > Cr > Fe > Co due to a strong affinity between the Al complex and the reference Lewis base while a weak affinity concerning on the Co complex. Additionally, the effect of ligand steric and electronic nature on the Lewis acidity was studied by using Co complex. Furthermore, density functional theory (DFT) was employed to calculate the BDE, which consists with the results obtained from ESI-MS. The ESI-MS method provides a convenient and efficient method for evaluating the Lewis acidity of metal complexes.

scholarly journals Unique reactivity of B in B[Ge9Y3]3 (Y = H, CH3, BO, CN): formation of a Lewis base

2019 ◽  
Vol 21 (42) ◽  
pp. 23301-23304
Author(s):  
G. Naaresh Reddy ◽  
Rakesh Parida ◽  
R. Inostroza-Rivera ◽  
Arindam Chakraborty ◽  
Puru Jena ◽  
...  
Keyword(s):  
Lewis Acid ◽  
Lewis Base ◽  
Lewis Acidity ◽  
Boron Compounds ◽  
Zintl Ion ◽  
Acid Nature ◽  
Boron Center

Boron compounds usually exhibit Lewis acidity at the boron center due to the presence of vacant p-orbitals. But using Zintl-ion based groups (Ge9Y3, Y = H, CH3, BO, CN), we can alter Lewis acid nature of B to a Lewis base.

scholarly journals Borenium ionic liquids as catalysts for Diels–Alder reaction: tuneable Lewis superacids for catalytic applications

2017 ◽  
Vol 7 (5) ◽  
pp. 1045-1049 ◽  
Author(s):  
K. Matuszek ◽  
S. Coffie ◽  
A. Chrobok ◽  
M. Swadźba-Kwaśny
Keyword(s):  
Catalytic Activity ◽  
Ionic Liquids ◽  
Alder Reaction ◽  
Diels Alder ◽  
Lewis Acidity ◽  
High Catalytic Activity ◽  
Acceptor Number ◽  
Diels Alder Reaction ◽  
Catalytic Applications

Ionic liquids with Lewis superacidic borenium cations were used as catalysts in solvent-less Diels–Alder cycloaddition. The extremely high catalytic activity correlated with the Lewis acidity, expressed as the Gutmann acceptor number.

Phosphine-Mediated [4 + 2] Annulation of Bis(enones):  A Lewis Base Catalyzed “Mock Diels−Alder” Reaction

2004 ◽  
Vol 6 (11) ◽  
pp. 1857-1860 ◽  
Author(s):  
Michel Couturier ◽  
Fréderic Ménard ◽  
John A. Ragan ◽  
Maxime Riou ◽  
Etienne Dauphin ◽  
...  
Keyword(s):  
Alder Reaction ◽  
Diels Alder ◽  
Lewis Base ◽  
Diels Alder Reaction

Ab Initio and DFT Study of the Influence of the Allene Group on the Diels–Alder Reaction

2004 ◽  
Vol 15 (4) ◽  
pp. 323-326 ◽  
Author(s):  
M. Luisa Ferreiro ◽  
Jesús Rodríguez-Otero ◽  
Enrique M. Cabaleiro-Lago
Keyword(s):  
Ab Initio ◽  
Alder Reaction ◽  
Diels Alder ◽  
Dft Study ◽  
Diels Alder Reaction ◽  
Ab Initio And Dft
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